General Information of the Compound
| Compound ID |
CP0294967
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| Compound Name |
3-[1-[3-(hydroxymethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C27H25N5O2S
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| Molecular Weight |
483.597
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(CO)c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H25N5O2S/c1-27(2,25(34)30-26-31-29-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(28-16-32(22)14-21)20-10-6-7-18(13-20)15-33/h3-14,16-17,23,33H,15H2,1-2H3,(H,30,31,34)
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| InChIKey |
WLKMHVZIDHRVCH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound